propan-2-yl N-[(2S)-1-[2-(4-chlorophenyl)ethylamino]-3-methyl-1-oxobutan-2-yl]carbamate

C17H25ClN2O3 — CID 22856211

IUPACpropan-2-yl N-[(2S)-1-[2-(4-chlorophenyl)ethylamino]-3-methyl-1-oxobutan-2-yl]carbamate
SMILESCC(C)OC(=O)N[C@H](C(=O)NCCc1ccc(Cl)cc1)C(C)C
InChIInChI=1S/C17H25ClN2O3/c1-11(2)15(20-17(22)23-12(3)4)16(21)19-10-9-13-5-7-14(18)8-6-13/h5-8,11-12,15H,9-10H2,1-4H3,(H,19,21)(H,20,22)/t15-/m0/s1
InChIKeyZOSOHFBVIZXVEI-HNNXBMFYSA-N
MW340.85 g/mol
LogP3.16
Rot. Bonds7

About propan-2-yl N-[(2S)-1-[2-(4-chlorophenyl)ethylamino]-3-methyl-1-oxobutan-2-yl]carbamate

propan-2-yl N-[(2S)-1-[2-(4-chlorophenyl)ethylamino]-3-methyl-1-oxobutan-2-yl]carbamate (PubChem CID 22856211) has the molecular formula C17H25ClN2O3 and a molecular weight of 340.85 g/mol. Its IUPAC name is propan-2-yl N-[(2S)-1-[2-(4-chlorophenyl)ethylamino]-3-methyl-1-oxobutan-2-yl]carbamate.

Molecular Properties

Compound Namepropan-2-yl N-[(2S)-1-[2-(4-chlorophenyl)ethylamino]-3-methyl-1-oxobutan-2-yl]carbamate
PubChem CID22856211
Molecular FormulaC17H25ClN2O3
Molecular Weight340.85 g/mol
Exact Mass340.16
IUPAC Namepropan-2-yl N-[(2S)-1-[2-(4-chlorophenyl)ethylamino]-3-methyl-1-oxobutan-2-yl]carbamate
SMILESCC(C)OC(=O)N[C@H](C(=O)NCCc1ccc(Cl)cc1)C(C)C
InChIInChI=1S/C17H25ClN2O3/c1-11(2)15(20-17(22)23-12(3)4)16(21)19-10-9-13-5-7-14(18)8-6-13/h5-8,11-12,15H,9-10H2,1-4H3,(H,19,21)(H,20,22)/t15-/m0/s1
InChIKeyZOSOHFBVIZXVEI-HNNXBMFYSA-N
XLogP3.16
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.85
LogP ≤ 53.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-chloro-N-[1-[2-(4-chlorophenyl)ethylamino]-3-methyl-1-oxobutan-2-yl]benzamide
CID 74645871
butan-2-yl N-[(2S)-1-[2-(4-ethylphenyl)ethylamino]-3-methyl-1-oxobutan-2-yl]carbamate
CID 22856215
2-(benzylcarbamoylamino)-N-[2-(4-chlorophenyl)ethyl]-3-methylbutanamide
CID 55544274
N-[1-[2-(4-chlorophenyl)ethylamino]-3-methyl-1-oxobutan-2-yl]-2-methylbenzamide
CID 84952247
methyl (3R)-3-(4-chlorophenyl)-3-[[(2S)-3-methyl-2-(propan-2-yloxycarbonylamino)butanoyl]amino]propanoate
CID 23377339
propan-2-yl N-[(2S,3R)-4-(4-fluorophenyl)-3-methyl-1-[2-(4-methylphenyl)ethylamino]-1-oxobutan-2-yl]carbamate
CID 141411552
(2R)-2-amino-N-[2-(4-chlorophenyl)ethyl]propanamide
CID 78973575
2-[2-(4-chlorophenyl)ethylamino]-N-propan-2-ylpropanamide
CID 60654107
2-amino-N-[2-(4-chlorophenyl)ethyl]-3-methylbutanamide;hydrochloride
CID 119263480
propan-2-yl N-[(2S,3R)-1-[2-(4-methoxyphenyl)ethylamino]-3-methyl-4-(4-methylphenyl)-1-oxobutan-2-yl]carbamate
CID 141411524
propan-2-yl N-[(2S,3R)-4-(3,4-dimethoxyphenyl)-3-methyl-1-[2-(4-methylphenyl)ethylamino]-1-oxobutan-2-yl]carbamate
CID 141411513
propan-2-yl N-[1-[1-(4-ethylphenyl)ethylamino]-3-methyl-1-oxobutan-2-yl]carbamate
CID 15215908

Frequently Asked Questions

What is the IUPAC name of propan-2-yl N-[(2S)-1-[2-(4-chlorophenyl)ethylamino]-3-methyl-1-oxobutan-2-yl]carbamate?
The IUPAC name of propan-2-yl N-[(2S)-1-[2-(4-chlorophenyl)ethylamino]-3-methyl-1-oxobutan-2-yl]carbamate (CID 22856211) is propan-2-yl N-[(2S)-1-[2-(4-chlorophenyl)ethylamino]-3-methyl-1-oxobutan-2-yl]carbamate.
What is the SMILES notation for propan-2-yl N-[(2S)-1-[2-(4-chlorophenyl)ethylamino]-3-methyl-1-oxobutan-2-yl]carbamate?
The canonical SMILES for propan-2-yl N-[(2S)-1-[2-(4-chlorophenyl)ethylamino]-3-methyl-1-oxobutan-2-yl]carbamate is CC(C)OC(=O)N[C@H](C(=O)NCCc1ccc(Cl)cc1)C(C)C.
What is the InChIKey of propan-2-yl N-[(2S)-1-[2-(4-chlorophenyl)ethylamino]-3-methyl-1-oxobutan-2-yl]carbamate?
The InChIKey is ZOSOHFBVIZXVEI-HNNXBMFYSA-N. The full InChI is InChI=1S/C17H25ClN2O3/c1-11(2)15(20-17(22)23-12(3)4)16(21)19-10-9-13-5-7-14(18)8-6-13/h5-8,11-12,15H,9-10H2,1-4H3,(H,19,21)(H,20,22)/t15-/m0/s1.
What are the key properties of propan-2-yl N-[(2S)-1-[2-(4-chlorophenyl)ethylamino]-3-methyl-1-oxobutan-2-yl]carbamate?
propan-2-yl N-[(2S)-1-[2-(4-chlorophenyl)ethylamino]-3-methyl-1-oxobutan-2-yl]carbamate has a molecular weight of 340.85 g/mol, XLogP of 3.16, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl N-[(2S)-1-[2-(4-chlorophenyl)ethylamino]-3-methyl-1-oxobutan-2-yl]carbamate is sourced from PubChem (CID 22856211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).